MMsINC Database Search


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MMsINC code: MMs01445900

Type: Neutral
Formula: C₁₇H₁₇Cl₂NO₂

SMILES:

Clc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1C

InChI:

InChI=1/C17H17Cl2NO2/c1-12-10-15(6-7-16(12)19)22-11-17(21)20-9-8-13-2-4-14(18)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2482 kcal/mol

Physical Properties
Molecular Weight: 338.234 g/mol	logS: -5.06625	SlogP: 4.03949	Reactive groups: 0

Topological Properties
Globularity: 0.029501	Sterimol/B1: 2.39003	Sterimol/B2: 3.61533	Sterimol/B3: 3.62125
Sterimol/B4: 5.82687	Sterimol/L: 20.9679

Surface and Volume Properties
Accessible surface: 604.928	Positive charged surface: 302.242	Negative charged surface: 302.686	Volume: 310
Hydrophobic surface: 545.34	Hydrophilic surface: 59.588

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.